1-(3-bromophenyl)-1-(4,5-dimethylimidazol-1-yl)butan-2-amine

C15H20BrN3 — CID 62351583

IUPAC1-(3-bromophenyl)-1-(4,5-dimethylimidazol-1-yl)butan-2-amine
SMILESCCC(N)C(c1cccc(Br)c1)n1cnc(C)c1C
InChIInChI=1S/C15H20BrN3/c1-4-14(17)15(12-6-5-7-13(16)8-12)19-9-18-10(2)11(19)3/h5-9,14-15H,4,17H2,1-3H3
InChIKeyBUUGCCRWMQWMKD-UHFFFAOYSA-N
MW322.25 g/mol
LogP3.59
Rot. Bonds4

About 1-(3-bromophenyl)-1-(4,5-dimethylimidazol-1-yl)butan-2-amine

1-(3-bromophenyl)-1-(4,5-dimethylimidazol-1-yl)butan-2-amine (PubChem CID 62351583) has the molecular formula C15H20BrN3 and a molecular weight of 322.25 g/mol. Its IUPAC name is 1-(3-bromophenyl)-1-(4,5-dimethylimidazol-1-yl)butan-2-amine.

Molecular Properties

Compound Name1-(3-bromophenyl)-1-(4,5-dimethylimidazol-1-yl)butan-2-amine
PubChem CID62351583
Molecular FormulaC15H20BrN3
Molecular Weight322.25 g/mol
Exact Mass321.08
IUPAC Name1-(3-bromophenyl)-1-(4,5-dimethylimidazol-1-yl)butan-2-amine
SMILESCCC(N)C(c1cccc(Br)c1)n1cnc(C)c1C
InChIInChI=1S/C15H20BrN3/c1-4-14(17)15(12-6-5-7-13(16)8-12)19-9-18-10(2)11(19)3/h5-9,14-15H,4,17H2,1-3H3
InChIKeyBUUGCCRWMQWMKD-UHFFFAOYSA-N
XLogP3.59
TPSA43.84 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500322.25
LogP ≤ 53.59
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 1-(3-bromophenyl)-1-(4,5-dimethylimidazol-1-yl)butan-2-amine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

1-(3-bromophenyl)-1-(3,4-dimethylpyrrolidin-1-yl)butan-2-amine
CID 79189044
2-amino-1-(3-bromophenyl)butan-1-ol
CID 43566135
1-(3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrol-2-yl)-1-(3-bromophenyl)butan-2-amine
CID 115559123
1-(3-bromophenyl)-1-(1,4-oxazepan-4-yl)butan-2-amine
CID 55154267
1-[2-amino-1-(3-bromophenyl)butyl]-N,N-dimethylpyrrolidin-3-amine
CID 63166544
1-(3-bromophenyl)-1-(7,7-dimethyl-1,4-thiazepan-4-yl)butan-2-amine
CID 107453294
1-(3-bromophenyl)-1-(3-methylmorpholin-4-yl)butan-2-amine
CID 55019336
1-(4-bromo-2-methylphenoxy)-1-(3-bromophenyl)butan-2-amine
CID 63460868
2-(4,5-dimethylimidazol-1-yl)-2-(3-fluorophenyl)ethanamine
CID 55064925
1-(3-bromophenyl)-1-(3,5-dimethyl-1,2,4-triazol-1-yl)propan-2-amine
CID 55018433
1-[1-(3-bromophenyl)propyl]-4-iodo-3-methylpyrazol-5-amine
CID 114079029
1-(3-bromophenyl)-1-(3,4-dichlorophenoxy)butan-2-amine
CID 63461597

Frequently Asked Questions

What is the IUPAC name of 1-(3-bromophenyl)-1-(4,5-dimethylimidazol-1-yl)butan-2-amine?
The IUPAC name of 1-(3-bromophenyl)-1-(4,5-dimethylimidazol-1-yl)butan-2-amine (CID 62351583) is 1-(3-bromophenyl)-1-(4,5-dimethylimidazol-1-yl)butan-2-amine.
What is the SMILES notation for 1-(3-bromophenyl)-1-(4,5-dimethylimidazol-1-yl)butan-2-amine?
The canonical SMILES for 1-(3-bromophenyl)-1-(4,5-dimethylimidazol-1-yl)butan-2-amine is CCC(N)C(c1cccc(Br)c1)n1cnc(C)c1C.
What is the InChIKey of 1-(3-bromophenyl)-1-(4,5-dimethylimidazol-1-yl)butan-2-amine?
The InChIKey is BUUGCCRWMQWMKD-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H20BrN3/c1-4-14(17)15(12-6-5-7-13(16)8-12)19-9-18-10(2)11(19)3/h5-9,14-15H,4,17H2,1-3H3.
What are the key properties of 1-(3-bromophenyl)-1-(4,5-dimethylimidazol-1-yl)butan-2-amine?
1-(3-bromophenyl)-1-(4,5-dimethylimidazol-1-yl)butan-2-amine has a molecular weight of 322.25 g/mol, XLogP of 3.59, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-bromophenyl)-1-(4,5-dimethylimidazol-1-yl)butan-2-amine is sourced from PubChem (CID 62351583), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).